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Compound Detail

CHEMBL345704

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Cc1nc2c(C(=O)Oc3c(Cl)cccc3Cl)cccn2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345704
Phase Preclinical
Structure Type MOL
InChI Key LQQTYLZCURCDBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.1
MW (Da)
4.93
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9BrCl2N2O2
MW 400.06
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
9484506 10.1021/jm970591c B2 bradykinin receptor 1

Data from ChEMBL 36 via Core Engine